6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

C12H10F3N3O2 — CID 91669634

IUPAC6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H10F3N3O2/c1-17-10(19)6-9(16)18(11(17)20)8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3
InChIKeyUVTCEVALDAYLJK-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.14
Rot. Bonds1

About 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 91669634) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID91669634
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H10F3N3O2/c1-17-10(19)6-9(16)18(11(17)20)8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3
InChIKeyUVTCEVALDAYLJK-UHFFFAOYSA-N
XLogP1.14
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 134116227
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
8-chloro-1,3-dimethyl-7-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 57498908
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
5-bromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 158849124
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate
CID 90254402
2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
3,4,4-trimethyl-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57067232
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 91669634) is 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is Cn1c(=O)cc(N)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is UVTCEVALDAYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-17-10(19)6-9(16)18(11(17)20)8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 285.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 91669634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).